dibutyltin(2+); 2,3-didodecylbenzenesulfonate

Systemtic Name: dibutyltin(2+); 2,3-didodecylbenzenesulfonate Openeye Name: dibutyltin(2+); 2,3-didodecylbenzenesulfonate CAS Name: dibutyltin(2+); 2,3-didodecylbenzenesulfonate IUPAC Name: dibutyltin(2+); 2,3-didodecylbenzenesulfonate Traditional Name: dibutyltin(2+); 2,3-dilaurylbesylate Formula: C68H124O6S2Sn MolecularWeight: 1220.54856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCC.CCCC[Sn+2]CCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCC.CCCC[Sn+2]CCCC

InChI

InChI=1S/2C30H54O3S.2C4H9.Sn/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;2*1-3-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);2*1,3-4H2,2H3;/q;;;;+2/p-2